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Information card for entry 2009099
Preview
| Coordinates | 2009099.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H16 B N O2 |
|---|---|
| Calculated formula | C18 H16 B N O2 |
| SMILES | [B]1(Oc2c(O1)cccc2)([n]1ccc(cc1)C)c1ccccc1 |
| Title of publication | 1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane |
| Authors of publication | Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 1885 - 1888 |
| a | 9.729 ± 0.0013 Å |
| b | 10.3311 ± 0.0014 Å |
| c | 15.589 ± 0.002 Å |
| α | 91.087 ± 0.003° |
| β | 106.477 ± 0.003° |
| γ | 94.123 ± 0.003° |
| Cell volume | 1497.4 ± 0.3 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1219 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.